Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14829396 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CYP3A4MAPK1LOXL2TSHR | |
| SCHEMBL14829600 | 0.87 | ALDH1A1 (0.45) | ALDH1A1CYP3A4MAPK1LOXL2TSHR | |
| SCHEMBL10411912 | 0.85 | ALDH1A1 (0.52) | ALDH1A1CYP3A4MAPK1LOXL2TSHR | |
| SCHEMBL4672150 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CYP3A4MAPK1LOXL2TSHR | |
| SCHEMBL1926585 | 0.83 | TSHR (0.60) | ALDH1A1CYP3A4MAPK1LOXL2TSHR | |
| SCHEMBL16720308 | 0.82 | KDM4E (0.55) | ALDH1A1CYP3A4MAPK1LOXL2TSHR | |
| SCHEMBL14829517 | 0.80 | ALDH1A1 (0.40) | ALDH1A1CYP3A4MAPK1LOXL2CYP4F2 | |
| SCHEMBL13545801 | 0.80 | PTPN11 (0.55) | ALDH1A1LOXL2TSHRRAB9ANPC1 | |
| SCHEMBL1800821 | 0.80 | TSHR (0.53) | ALDH1A1CYP3A4MAPK1LOXL2TSHR | |
| SCHEMBL18569778 | 0.79 | ALDH1A1 (0.48) | ALDH1A1CYP3A4MAPK1LOXL2TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8735630-B2 | Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2014-05-27 | — | — | US | disclosed |
| US-20130178632-A1 | Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2013-07-11 | — | — | US | disclosed |
| US-8378145-B2 | Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2013-02-19 | — | — | US | disclosed |
| US-20090287016-A1 | Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2009-11-19 | — | — | US | disclosed |
| US-7560596-B2 | Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2009-07-14 | — | — | US | disclosed |
| EP-1833605-A2 | TRANSITION-METAL-CATALYZED CARBON-NITROGEN AND CARBON-CARBON BOND-FORMING REACTIONS | Massachusetts Institute of Technology (US) | 2007-09-19 | — | — | EP | disclosed |
| US-20060173186-A1 | Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2006-08-03 | — | — | US | disclosed |
| WO-2006074315-A2 | TRANSITION-METAL-CATALYZED CARBON-NITROGEN AND CARBON-CARBON BOND-FORMING REACTIONS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2006-07-13 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090287016-A1 | Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions | NBAS, APEX1, CBR3 | ALDH1A1 1530/4885CYP3A4 704/4885MAPK1 2488/4885 |
| US-20060173186-A1 | Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions | NBAS, APEX1, CBR3 | ALDH1A1 1530/4885CYP3A4 704/4885MAPK1 2488/4885 |
| US-20130178632-A1 | Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions | NBAS, APEX1, CBR3 | ALDH1A1 1530/4885CYP3A4 704/4885MAPK1 2488/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.